SCHEMBL25330105

SCHEMBL25330105

N#Cc1ccc(N2CCC(c3cc[c]cc3)CC2)cc1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LCAT P04180 2/20 0.35
▸ FAAH O00519 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ IP6K1 Q92551 1/20 0.32
▸ AOC3 Q16853 2/20 0.32
▸ L3MBTL3 Q96JM7 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25329977 0.83 AR (0.43) ARKDM4ENSD2LMNAMAPT
SCHEMBL25328874 0.81 AR (0.60) AR
SCHEMBL25329415 0.78 AR (0.42) ARMAPT
SCHEMBL25330058 0.76 AR (0.50) AR
SCHEMBL31131390 0.75 HRH3 (0.48) —
SCHEMBL25934061 0.75 HRH3 (0.48) —
SCHEMBL25329756 0.73 AR (0.48) AR
SCHEMBL25329081 0.72 AR (0.40) ARKDM4ENSD2LMNAMAPT
SCHEMBL31752257 0.71 IDO1 (0.44) ARIDO1TDO2
SCHEMBL25329752 0.71 AR (0.36) ARKDM4ENSD2LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
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